N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine

C18H27NO2 — CID 66359383

IUPACN-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine
SMILESCCCOc1ccccc1OC1CC(NC)C12CCCC2
InChIInChI=1S/C18H27NO2/c1-3-12-20-14-8-4-5-9-15(14)21-17-13-16(19-2)18(17)10-6-7-11-18/h4-5,8-9,16-17,19H,3,6-7,10-13H2,1-2H3
InChIKeyHTSBUBBEFFYYRY-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.77
Rot. Bonds6

About N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine

N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine (PubChem CID 66359383) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine
PubChem CID66359383
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine
SMILESCCCOc1ccccc1OC1CC(NC)C12CCCC2
InChIInChI=1S/C18H27NO2/c1-3-12-20-14-8-4-5-9-15(14)21-17-13-16(19-2)18(17)10-6-7-11-18/h4-5,8-9,16-17,19H,3,6-7,10-13H2,1-2H3
InChIKeyHTSBUBBEFFYYRY-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66359518
3-(2-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66357306
3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66358000
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66359116
N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357502
3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66356924
3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359127
3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66350700
3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66350265
N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine
CID 107662355
N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine
CID 66350237
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine?
The IUPAC name of N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine (CID 66359383) is N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine?
The canonical SMILES for N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine is CCCOc1ccccc1OC1CC(NC)C12CCCC2.
What is the InChIKey of N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine?
The InChIKey is HTSBUBBEFFYYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-12-20-14-8-4-5-9-15(14)21-17-13-16(19-2)18(17)10-6-7-11-18/h4-5,8-9,16-17,19H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine?
N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 66359383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).